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XAV939

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Name

XAV939

EINECS 687-302-1
CAS No. 284028-89-3 Density 1.5 g/cm3
PSA 71.31000 LogP 3.65730
Solubility N/A Melting Point N/A
Formula C14H11F3N2OS Boiling Point 429.3 °C at 760 mmHg
Molecular Weight 312.315 Flash Point 213.4 °C
Transport Information UN 2811 Appearance N/A
Safety 26-45 Risk Codes 25-36
Molecular Structure Molecular Structure of 284028-89-3 (xav-939) Hazard Symbols ToxicT
Synonyms

XAV 939;

 

XAV939 Specification

 The CAS register number of XAV939 is 284028-89-3. The systematic name about this chemical is 2-[4-(trifluoromethyl)phenyl]-1,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-on. The molecular formula about this chemical is C14H11F3N2OS and the molecular weight is 312.309349.

Physical properties about XAV939 are: (1)ACD/LogP: 2.99; (2)ACD/LogD (pH 5.5): 2.99; (3)ACD/LogD (pH 7.4): 2.99; (4)ACD/BCF (pH 5.5): 109.33; (5)ACD/BCF (pH 7.4): 109.33; (6)ACD/KOC (pH 5.5): 1002.15; (7)ACD/KOC (pH 7.4): 1002.15; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.97 Å2; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 74.33 cm3; (14)Molar Volume: 207.7 cm3; (15)Polarizability: 29.46x10-24cm3; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.5 g/cm3; (18)Flash Point: 213.4 °C; (19)Enthalpy of Vaporization: 68.46 kJ/mol; (20)Boiling Point: 429.3 °C at 760 mmHg; (21)Vapour Pressure: 1.42E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed and irritating to eyes. Besides, chemicals that at low levels cause damage to health. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store this chemical, please store in room temperature.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c3ccc(C\1=N\C(=O)\C2=C(/N/1)CCSC2)cc3
(2)InChI: InChI=1/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
(3)InChIKey: KLGQSVMIPOVQAX-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
(5)Std. InChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-N

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